rQSAR: QSAR Modeling with Multiple Algorithms: MLR, PLS, and Random Forest

Quantitative Structure-Activity Relationship (QSAR) modeling is a valuable tool in computational chemistry and drug design, where it aims to predict the activity or property of chemical compounds based on their molecular structure. In this vignette, we present the 'rQSAR' package, which provides functions for variable selection and QSAR modeling using Multiple Linear Regression (MLR), Partial Least Squares (PLS), and Random Forest algorithms.

Getting started

Package details

AuthorOche Ambrose George [aut, cre] (<https://orcid.org/0000-0002-3979-6232>)
MaintainerOche Ambrose George <ocheab1@gmail.com>
LicenseMIT + file LICENSE
Version1.0.0
Package repositoryView on CRAN
Installation Install the latest version of this package by entering the following in R:
install.packages("rQSAR")

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rQSAR documentation built on May 29, 2024, 5:16 a.m.